PDB: 31489 件ウェブページステータス検索Chemie searchBIRD

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6DKZ	Racemic structure of ribifolin, an orbitide from Jatropha ribifolia 分子名称: ribifolin 著者 Wang, C.K, King, G.J, Ramalho, S.D. 登録日 2018-05-31 公開日 2018-11-14 最終更新日 2020-01-01 実験手法 X-RAY DIFFRACTION (0.99 Å) 主引用文献 Synthesis, Racemic X-ray Crystallographic, and Permeability Studies of Bioactive Orbitides from Jatropha Species. J. Nat. Prod., 81, 2018
8TNF	Crystal structure of sulfohexulose-1-phosphate aldolase from Paracoccus onubensis strain Merri 分子名称: DUF2090 domain-containing protein 著者 Lee, M. 登録日 2023-08-01 公開日 2024-08-07 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 A patchwork pathway for catabolism degradation of the sulfosugar sulfofucose To Be Published
6KDN	HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:dGTP ternary complex 分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ... 著者 Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K. 登録日 2019-07-02 公開日 2020-03-04 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.303 Å) 主引用文献 Structural features in common of HBV and HIV-1 resistance against chirally-distinct nucleoside analogues entecavir and lamivudine. Sci Rep, 10, 2020
8TK4	HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) complexed with phosphate 分子名称: Dual specificity protein phosphatase 3, PHOSPHATE ION 著者 Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L. 登録日 2023-07-25 公開日 2024-08-14 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) complexed with phosphate To Be Published
8BB7	Crystal structure of Mouse Plexin-B1 (20-535) in complex with VHH15 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-B1, VHH15 Nanobody 著者 Cowan, R, Hall, G, Carr, M. 登録日 2022-10-12 公開日 2023-05-03 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.95 Å) 主引用文献 Nanobody inhibitors of Plexin-B1 identify allostery in plexin-semaphorin interactions and signaling. J.Biol.Chem., 299, 2023
6DTG	Crystal structure of Haemophilus influenzae OppA complex with YLGANGRGGGS 分子名称: Periplasmic oligopeptide-binding protein, TYR-LEU-GLY-ALA-ASN-GLY 著者 Tanaka, K.J, Pinkett, H.W. 登録日 2018-06-16 公開日 2018-11-28 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Oligopeptide-binding protein from nontypeableHaemophilus influenzaehas ligand-specific sites to accommodate peptides and heme in the binding pocket. J. Biol. Chem., 294, 2019
6DMN	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Soaked in 2 mM Ca2+ and 200 mM K+ at 21 C 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), ... 著者 Samara, N.L, Yang, W. 登録日 2018-06-05 公開日 2018-08-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.27 Å) 主引用文献 Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
7O2I	METTL3-METTL14 heterodimer bound to the SAM competitive small molecule inhibitor STM2457 分子名称: DIMETHYL SULFOXIDE, N6-adenosine-methyltransferase catalytic subunit, N6-adenosine-methyltransferase non-catalytic subunit, ... 著者 Pilka, E.S, Blackaby, W, Hardick, D, Harper, C, Hewstone, D, Ridgill, M, Rotty, B, Rausch, O. 登録日 2021-03-30 公開日 2021-04-14 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Small-molecule inhibition of METTL3 as a strategy against myeloid leukaemia. Nature, 593, 2021
8TYG	Plasmodium vivax PMV-WM08 inhibitor complex 分子名称: (2E,4aR,7aS)-6-[3-(4-chlorophenyl)pyridin-2-yl]-7a-(2,5-difluorophenyl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Hodder, A.N, Scally, S.W, Cowman, A.F. 登録日 2023-08-25 公開日 2024-08-28 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Plasmodium vivax PMV-WM08 inhibitor complex To Be Published
6KGM	LSD1-CoREST-S2116 five-membered ring adduct model 分子名称: 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... 著者 Niwa, H, Sato, S, Umehara, T. 登録日 2019-07-12 公開日 2020-03-25 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.62 Å) 主引用文献 Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. Chemmedchem, 15, 2020
8BRT	Crystal structure of a variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231 with reduced surface entropy and additionally engineered crystal contact 分子名称: (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... 著者 Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R. 登録日 2022-11-23 公開日 2023-05-03 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.31 Å) 主引用文献 Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency Cryst.Growth Des., 2023
8TTD	Structure of VPS29 complexed with Fam21A repeat 21 (1328-1341) 分子名称: FORMIC ACID, SER-ASN-ILE-PHE-ASP-ASP-PRO-LEU-ASN-ALA-PHE-GLY-GLY-GLN, Vacuolar protein sorting-associated protein 29 著者 Chen, K.-E, Guo, Q, Collins, B.M. 登録日 2023-08-13 公開日 2024-08-21 実験手法 X-RAY DIFFRACTION (2.011 Å) 主引用文献 Structural basis for coupling of the WASH subunit FAM21 with the endosomal SNX27-Retromer complex. Proc.Natl.Acad.Sci.USA, 121, 2024
6DNJ	Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 28 round 5 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-nitro-1,2-benzoxazole, Kemp eliminase KE07 著者 Jackson, C.J, Hong, N.-S, Carr, P.D. 登録日 2018-06-06 公開日 2018-08-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 The evolution of multiple active site configurations in a designed enzyme. Nat Commun, 9, 2018
8TA0	Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM881 分子名称: 3-[2-(3-{[(6M)-2,4-diamino-6-(3-methoxyphenyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2023-06-26 公開日 2024-08-28 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Rational Exploration of 2,4-Diaminopyrimidines as DHFR Inhibitors Active against Mycobacterium abscessus and Mycobacterium avium , Two Emerging Human Pathogens. J.Med.Chem., 2024
6HFJ	Human dihydroorotase mutant F1563A co-crystallized with carbamoyl aspartate at pH 7.5 分子名称: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ... 著者 Ramon-Maiques, S, Grande Garcia, A. 登録日 2018-08-21 公開日 2018-10-24 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Characterization of the catalytic flexible loop in the dihydroorotase domain of the human multi-enzymatic protein CAD. J. Biol. Chem., 293, 2018
8BP9	Structure of E. coli Class 2 L-asparaginase EcAIII, mutant M200W (crystal M200W#2) 分子名称: CHLORIDE ION, Isoaspartyl peptidase subunit alpha, Isoaspartyl peptidase subunit beta, ... 著者 Sciuk, A, Jaskolski, M, Loch, J.I. 登録日 2022-11-16 公開日 2023-05-03 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 The effects of nature-inspired amino acid substitutions on structural and biochemical properties of the E. coli L-asparaginase EcAIII. Protein Sci., 32, 2023
7NRF	Crystal structure of E.coli BamA beta-barrel in complex with darobactin (crystal form 2) 分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Darobactin, MAGNESIUM ION, ... 著者 Jakob, R.P, Kaur, H, Marzinek, J.K, Green, R, Imai, Y, Bolla, J, Robinson, C, Bond, P.J, Lewis, K, Maier, T, Hiller, S. 登録日 2021-03-03 公開日 2021-04-21 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase. Nature, 593, 2021
8BSE	CRYSTAL STRUCTURE OF SARS-COV-2 RECEPTOR BINDING DOMAIN (RBD) in complex with 1D1 Fab 分子名称: 1D1 FAB HEAVY CHAIN, 1D1 FAB LIGHT CHAIN, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... 著者 Welin, M, Kimbung, Y.R, Focht, D, Pisitkun, T. 登録日 2022-11-25 公開日 2023-05-17 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Efficacy of the combination of monoclonal antibodies against the SARS-CoV-2 Beta and Delta variants. Plos One, 18, 2023
6DOW	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 5 mM Mg2+ and 200 mM Rb+ for 160 s at 21 C 分子名称: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', ... 著者 Samara, N.L, Yang, W. 登録日 2018-06-09 公開日 2018-08-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.495 Å) 主引用文献 Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
6HFS	Human dihydroorotase mutant F1563Y co-crystallized with carbamoyl aspartate at pH 6.5 分子名称: CAD protein, FORMIC ACID, N-CARBAMOYL-L-ASPARTATE, ... 著者 Ramon-Maiques, S, Grande Garcia, A. 登録日 2018-08-21 公開日 2018-10-24 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.34904516 Å) 主引用文献 Characterization of the catalytic flexible loop in the dihydroorotase domain of the human multi-enzymatic protein CAD. J. Biol. Chem., 293, 2018
8U06	Imine reductase RedE bound with NADP+ and arcyriaflavin A (primary site) 分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Arcyriaflavin A, ... 著者 Daniel-Ivad, P, Ryan, K.S. 登録日 2023-08-28 公開日 2024-09-04 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 An imine reductase that captures reactive intermediates in the biosynthesis of the indolocarbazole reductasporine To be published
6DP9	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mn2+ and 200 mM K+ for 40 s at 21 C 分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ... 著者 Samara, N.L, Yang, W. 登録日 2018-06-09 公開日 2018-08-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
8BSF	CRYSTAL STRUCTURE OF SARS-COV-2 RECEPTOR BINDING DOMAIN (RBD-beta variant) in complex with 3D2 Fab 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3D2 FAB HEAVY CHAIN, 3D2 FAB LIGHT CHAIN, ... 著者 Welin, M, Kimbung, Y.R, Focht, D, Pisitkun, T. 登録日 2022-11-25 公開日 2023-05-17 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Efficacy of the combination of monoclonal antibodies against the SARS-CoV-2 Beta and Delta variants. Plos One, 18, 2023
8TO3	EGFR(T790M/V948R) in complex with LN5461 分子名称: 3-hydroxy-N-{(3P)-3-[(4P)-2-(methylsulfanyl)-5-{2-[4-(piperazin-1-yl)anilino]pyridin-4-yl}-1H-imidazol-4-yl]phenyl}-2-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzamide, Epidermal growth factor receptor, MAGNESIUM ION, ... 著者 Chitnis, S.C, Pham, C.D, Heppner, D.E. 登録日 2023-08-02 公開日 2024-08-28 実験手法 X-RAY DIFFRACTION (2.49 Å) 主引用文献 EGFR(T790M/V948R) in complex with LN5461 To Be Published
8B3K	Crystal structure of human Plexin-B1 (20-535) in the unbound state 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, Plexin-B1 著者 Cowan, R, Hall, G, Carr, M. 登録日 2022-09-16 公開日 2023-05-03 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.685 Å) 主引用文献 Nanobody inhibitors of Plexin-B1 identify allostery in plexin-semaphorin interactions and signaling. J.Biol.Chem., 299, 2023

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